SCHEMBL3847129

SCHEMBL3847129

N=C(N)NCCC[C@H](N)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY4R P50391 3/20 0.41
NPY1R P25929 2/20 0.41
NPY2R P49146 2/20 0.41
NPY5R Q15761 2/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25403520 1.00 POLB (0.43) POLBTDP1ALDH1A1EPHX2NPC1
Hydrochloric Acid SCHEMBL9618470 0.99 POLB (0.42) POLBTDP1ALDH1A1EPHX2NPC1
SCHEMBL6553737 0.90 ITGB3 (0.45) NPY4RNPY1RNPY2RNPY5RF10
SCHEMBL16972474 0.87 POLB (0.41) POLBTDP1EPHX2NPC1RAB9A
Hydrochloric Acid SCHEMBL11211338 0.86 HDAC3 (0.43) ALDH1A1NPC1RAB9ANPY4RNPY1R
Hydrochloric Acid SCHEMBL11106339 0.86 HDAC3 (0.43) ALDH1A1NPC1RAB9ANPY4RNPY1R
SCHEMBL8416482 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC3HDAC4HDAC2
Bromide SCHEMBL11101365 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1388522 0.83 CNR1 (0.47)
SCHEMBL6864434 0.82 HPGD (0.46) ALDH1A1NPY4RNPY1RNPY2RNPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986750-B1 Use of an extract of Enanthia Chloranta SEDERMA SA (FR) 2019-04-24 EP disclosed
US-8846019-B2 Use of protoberberines as an active substance regulating the pilosebaceous unit SEDERMA (FR) 2014-09-30 US disclosed
US-8591874-B2 Inhibition of mammalian hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-11-26 US disclosed
US-8481015-B2 Applying agmatine and a dermatologically acceptable carrier to the skin; inhibiting hair growth THE PROCTER & GAMBLE COMPANY (US) 2013-07-09 US disclosed
US-20090269395-A1 USE OF PROTOBERBERINES AS AN ACTIVE SUBSTANCE REGULATING THE PILOSEBACEOUS UNIT SEDERMA (FR) 2009-10-29 US disclosed
US-20080188505-A1 Regulation of Mammalian Hair Growth OBLONG JOHN ERICH 2008-08-07 US disclosed
US-20080057015-A1 Hair care compositions, methods, and articles of commerce that can help maintain a longer lasting hair style appearance THE PROCTER & GAMBLE COMPANY 2008-03-06 US disclosed
US-20070203240-A1 Personal care compositions and methods for regulating mammalian hair growth THE PROCTER & GAMBLE COMPANY 2007-08-30 US disclosed
US-20060127431-A1 Regulation of mammalian hair growth THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1601340-A2 REGULATION OF MAMMALIAN HAIR GROWTH THE PROCTER & GAMBLE COMPANY (US) 2005-12-07 EP disclosed
US-20050255059-A1 Personal care compositions and methods regulating mammalian hair growth PROCTER & GAMBLE COMPANY, THE 2005-11-17 US disclosed
US-20050255060-A1 Personal care compositions and methods regulating mammalian hair growth PROCTER & GAMBLE COMPANY, THE 2005-11-17 US disclosed
US-20050003024-A1 Regulation of mammalian hair growth THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed
WO-2004078157-A2 REGULATION OF MAMMALIAN HAIR GROWTH THE PROCTER & GAMBLE COMPANY (US) 2004-09-16 WO disclosed
WO-1999052936-A2 ARGININE PEPTIDE ANALOGS USEFUL AS FIBROBLAST GROWTH FACTOR ANTAGONISTS EISAI CO., LTD. (JP) 1999-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050255059-A1 Personal care compositions and methods regulating mammalian hair growth PLOD3, MITF, AADAT POLB 745/4885TDP1 2632/4885ALDH1A1 3562/4885
US-20090269395-A1 USE OF PROTOBERBERINES AS AN ACTIVE SUBSTANCE REGULATING THE PILOSEBACEOUS UNIT BROX, CUTA, SHH POLB 1076/4885TDP1 4382/4885ALDH1A1 3956/4885
US-20060127431-A1 Regulation of mammalian hair growth BHMT, UGCG, HNMT POLB 3376/4885TDP1 3459/4885ALDH1A1 3099/4885
US-20080188505-A1 Regulation of Mammalian Hair Growth BHMT, UGCG, HNMT POLB 3376/4885TDP1 3459/4885ALDH1A1 3099/4885
US-20050255060-A1 Personal care compositions and methods regulating mammalian hair growth PCMT1, PLOD3, ARNT POLB 326/4885TDP1 2413/4885ALDH1A1 3085/4885
US-20050003024-A1 Regulation of mammalian hair growth BHMT, UGCG, HNMT POLB 3376/4885TDP1 3459/4885ALDH1A1 3099/4885
US-20070203240-A1 Personal care compositions and methods for regulating mammalian hair growth PLOD1, PLOD3, PLOD2 POLB 101/4885TDP1 661/4885ALDH1A1 970/4885
US-20080057015-A1 Hair care compositions, methods, and articles of commerce that can help maintain a longer lasting hair style appearance SHH, CAPRIN1, CUTA POLB 3293/4885TDP1 3961/4885ALDH1A1 738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.